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Home > Fluorides > 130680-89-6
130680-89-6 | Benzeneethanol, 2-fluoro-, 1-methanesulfonate
CAS No: 130680-89-6 Catalog No: AG000UTM MDL No:
Product Description
Catalog Number:
AG000UTM
Chemical Name:
Benzeneethanol, 2-fluoro-, 1-methanesulfonate
CAS Number:
130680-89-6
Molecular Formula:
C9H11FO3S
Molecular Weight:
218.2452
IUPAC Name:
2-(2-fluorophenyl)ethanol;methanesulfonic acid
InChI:
InChI=1S/C8H9FO.CH4O3S/c9-8-4-2-1-3-7(8)5-6-10;1-5(2,3)4/h1-4,10H,5-6H2;1H3,(H,2,3,4)
InChI Key:
UQRQWTGZOXGNHK-UHFFFAOYSA-N
SMILES:
Fc1ccccc1CCOS(=O)(=O)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.257g/mol
Monoisotopic Mass:
236.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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